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(Rac) -Lisaftoclax

CAT: 0931-T84730-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84730-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2651980-10-6
Target
Bcl-2 Family, Others
Related Pathways
Others, Apoptosis
Bioactivity
(Rac) -Lisaftoclax ((Rac) -APG-2575), a Bcl-2 inhibitor, is utilized in hematologic malignancy research (CN112898295A) [1].
Smiles
C(C1=C(CC2(CC1)CCC2)C3=CC=C(Cl)C=C3)N4CCN(CC4)C5=CC(OC=6C=C7C(=NC6)NC=C7)=C(C(NS(=O)(=O)C8=CC(N(=O)=O)=C(NCC9COCCO9)C=C8)=O)C=C5
Molecular Formula
C45H48ClN7O8S
Molecular Weight
882.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(Rac)-Lisaftoclax
CAS Number2651980-10-6
PubChem CID137355976
IUPAC Name4-[4-[[8-(4-chlorophenyl)spiro[3.5]non-7-en-7-yl]methyl]piperazin-1-yl]-N-[4-(1,4-dioxan-2-ylmethylamino)-3-nitrophenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Molecular FormulaC45H48ClN7O8S
Molecular Weight882.4
XLogP7.5
Topological Polar Surface Area192
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Heavy Atom Count62
Formal Charge0
Complexity1690
SMILES
C1CC2(C1)CCC(=C(C2)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NCC7COCCO7)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9
InChI
InChI=1S/C45H48ClN7O8S/c46-33-4-2-30(3-5-33)39-25-45(12-1-13-45)14-10-32(39)28-51-16-18-52(19-17-51)34-6-8-38(42(23-34)61-35-22-31-11-15-47-43(31)49-26-35)44(54)50-62(57,58)37-7-9-40(41(24-37)53(55)56)48-27-36-29-59-20-21-60-36/h2-9,11,15,22-24,26,36,48H,1,10,12-14,16-21,25,27-29H2,(H,47,49)(H,50,54)
InChIKey
FNBXDBIYRAPDPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Rac)-Lisaftoclax
CAS: 2651980-10-6
CID: 137355976
Formula: C45H48ClN7O8S
MW: 882.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight882.4
XLogP37.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Exact Mass881.2973604
Monoisotopic Mass881.2973604
Topological Polar Surface Area192 Ų
Heavy Atom Count62
Formal Charge0
Complexity1690
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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